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V20

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.34Å1.29Å
COXTdoub1.21Å1.25Å
CCAsing1.51Å1.50Å
CANsing1.47Å1.51Å
CACBsing1.53Å1.52Å
CBCAJsing1.53Å1.55Å
CAJCALsing1.53Å1.52Å
CALCATsing1.51Å1.52Å
CATOAEdoub1.21Å1.21Å
CATNAOsing1.35Å1.32Å
NAOCAWsing1.47Å1.46Å
CAWCAKsing1.53Å1.49Å
CAWCAUsing1.51Å1.50Å
CAKSAIsing1.81Å1.81Å
CAUOAFdoub1.21Å1.21Å
CAUOAPsing1.34Å1.39Å
OAPCAXsing1.45Å1.44Å
CAXCASsing1.51Å1.53Å
CAXCANsing1.53Å1.53Å
CASOADsing1.34Å1.28Å
CASOAHdoub1.21Å1.27Å
CANSAQsing1.81Å1.78Å
SAQCAAsing1.81Å1.79Å
OHsing0.97Å0.95Å
CAHAsing1.09Å1.10Å
NHN1sing1.01Å1.00Å
NHN2sing1.01Å1.00Å
CBHBC1sing1.09Å1.10Å
CBHBC2sing1.09Å1.10Å
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
NAOHAOsing0.97Å1.00Å
CAWHAWsing1.09Å1.10Å
CAKHAK1sing1.09Å1.10Å
CAKHAK2sing1.09Å1.10Å
SAIHAIsing1.35Å1.30Å
CAXHAXsing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
OADHADsing0.97Å0.95Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCOXT123.0°120.0°
OCCA119.7°120.0°
COH109.5°117.0°
OXTCCA117.3°120.0°
CCAN112.7°109.5°
CCACB106.7°109.5°
CCAHA110.2°109.4°
NCACB112.4°109.5°
NCAHA104.3°109.5°
CANHN1109.5°111.0°
CANHN2109.5°111.0°
CACBCAJ112.5°109.5°
CBCAHA110.6°109.5°
CACBHBC1108.5°109.5°
CACBHBC2107.7°109.4°
CBCAJCAL111.6°109.5°
CAJCBHBC1108.5°109.5°
CAJCBHBC2107.8°109.5°
CBCAJHAJ1108.8°109.4°
CBCAJHAJ2108.3°109.5°
CAJCALCAT111.7°109.4°
CALCAJHAJ1108.8°109.5°
CALCAJHAJ2108.3°109.5°
CAJCALHAL1108.7°109.5°
CAJCALHAL2108.2°109.5°
CALCATOAE121.2°120.0°
CALCATNAO116.8°120.0°
CATCALHAL1108.7°109.5°
CATCALHAL2108.3°109.5°
OAECATNAO122.0°120.0°
CATNAOCAW122.0°120.0°
CATNAOHAO118.9°120.0°
NAOCAWCAK108.5°109.5°
NAOCAWCAU109.6°109.5°
CAWNAOHAO119.0°120.0°
NAOCAWHAW109.7°109.4°
CAKCAWCAU108.5°109.5°
CAWCAKSAI111.8°109.5°
CAKCAWHAW110.7°109.5°
CAWCAKHAK1108.7°109.4°
CAWCAKHAK2108.2°109.5°
CAWCAUOAF124.8°120.0°
CAWCAUOAP114.4°120.0°
CAUCAWHAW109.7°109.5°
SAICAKHAK1108.7°109.5°
SAICAKHAK2108.2°109.5°
CAKSAIHAI109.5°103.0°
OAFCAUOAP120.5°120.0°
CAUOAPCAX118.4°117.0°
OAPCAXCAS106.0°109.5°
OAPCAXCAN103.9°109.5°
OAPCAXHAX116.8°109.5°
CASCAXCAN114.0°109.4°
CAXCASOAD118.5°120.0°
CAXCASOAH119.9°120.0°
CASCAXHAX107.2°109.5°
CAXCANSAQ115.7°109.4°
CANCAXHAX109.2°109.4°
CAXCANHAN1107.4°109.5°
CAXCANHAN2106.0°109.5°
OADCASOAH121.6°120.0°
CASOADHAD109.5°117.1°
CANSAQCAA100.3°103.0°
SAQCANHAN1107.4°109.5°
SAQCANHAN2106.0°109.4°
SAQCAAHAA1109.5°109.5°
SAQCAAHAA2109.5°109.5°
SAQCAAHAA3109.4°109.5°
HN1NHN2109.5°111.0°
HBC1CBHBC2111.9°109.5°
HAJ1CAJHAJ2111.1°109.5°
HAL1CALHAL2111.2°109.5°
HAK1CAKHAK2111.3°109.5°
HAN1CANHAN2114.5°109.5°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCOXTCA179.9°180.0°
OCCAN173.3°160.0°
OCCACB62.9°80.0°
OCCAHA57.2°40.0°
OXTCCAN6.6°20.0°
OXTCCACB117.2°100.0°
OXTCOH0.0°0.1°
OXTCCAHA122.6°140.0°
CCANCB120.6°120.0°
CCANHA119.6°119.9°
CCACBHA119.9°120.0°
CCACBCAJ179.1°175.0°
CACOH179.9°180.0°
CCANHN183.6°60.1°
CCANHN236.4°176.1°
CCACBHBC160.9°65.0°
CCACBHBC260.4°55.0°
NCACBHA116.1°120.0°
NCACBCAJ56.9°65.0°
CANHN1HN2120.0°123.9°
NCACBHBC163.1°55.0°
NCACBHBC2175.5°175.0°
CACBCAJHBC1120.0°120.0°
CACBCAJHBC2118.7°120.0°
CACBCAJCAL171.3°NaN°
CBCANHN1155.8°59.9°
CBCANHN284.2°63.9°
CACBHBC1HBC2118.7°120.0°
CACBCAJHAJ168.7°60.0°
CACBCAJHAJ252.2°60.0°
CBCAJCALHAJ1120.0°119.9°
CBCAJCALHAJ2119.1°120.0°
CBCAJCALCAT175.7°180.0°
CAJCBCAHA59.2°55.0°
CAJCBHBC1HBC2118.8°120.0°
CBCAJHAJ1HAJ2119.1°120.0°
CBCAJCALHAL164.3°60.0°
CBCAJCALHAL256.6°60.0°
CAJCALCATHAL1120.0°120.0°
CAJCALCATHAL2119.1°120.0°
CAJCALCATOAE73.7°0.0°
CAJCALCATNAO106.3°180.0°
CALCAJCBHBC151.3°60.0°
CALCAJCBHBC270.0°60.0°
CALCAJHAJ1HAJ2119.1°120.1°
CAJCALHAL1HAL2119.1°120.0°
CALCATOAENAO180.0°180.0°
CALCATNAOCAW179.5°180.0°
CATCALCAJHAJ155.7°60.0°
CATCALCAJHAJ265.2°60.0°
CATCALHAL1HAL2119.1°120.0°
CALCATNAOHAO0.5°0.0°
OAECATNAOCAW0.5°0.0°
OAECATCALHAL146.3°120.0°
OAECATCALHAL2167.2°120.0°
OAECATNAOHAO179.5°180.0°
CATNAOCAWHAO180.0°180.0°
CATNAOCAWCAK131.0°85.0°
CATNAOCAWCAU110.6°155.0°
NAOCATCALHAL1133.7°60.0°
NAOCATCALHAL212.8°60.0°
CATNAOCAWHAW9.9°35.0°
NAOCAWCAKCAU119.1°120.0°
NAOCAWCAKHAW120.5°120.0°
NAOCAWCAUHAW120.5°120.0°
NAOCAWCAKSAI57.0°60.0°
NAOCAWCAUOAF3.6°0.0°
NAOCAWCAUOAP170.1°180.0°
NAOCAWCAKHAK1177.0°60.0°
NAOCAWCAKHAK262.1°180.0°
CAKCAWCAUHAW121.1°120.0°
CAWCAKSAIHAK1120.0°120.0°
CAWCAKSAIHAK2119.0°120.0°
CAKCAWCAUOAF122.0°120.0°
CAKCAWCAUOAP51.7°60.0°
CAKCAWNAOHAO49.0°95.0°
CAWCAKHAK1HAK2119.0°120.0°
CAWCAKSAIHAI155.0°180.0°
CAUCAWCAKSAI62.1°180.0°
CAWCAUOAFOAP173.3°180.0°
CAWCAUOAPCAX160.5°180.0°
CAUCAWNAOHAO69.4°25.0°
CAUCAWCAKHAK157.9°60.0°
CAUCAWCAKHAK2178.8°60.0°
SAICAKCAWHAW177.5°60.0°
SAICAKHAK1HAK2119.1°120.1°
OAFCAUOAPCAX13.5°0.0°
OAFCAUCAWHAW116.9°119.9°
CAUOAPCAXCAS148.2°90.1°
CAUOAPCAXCAN91.3°150.0°
OAPCAUCAWHAW69.4°60.0°
CAUOAPCAXHAX29.0°30.1°
OAPCAXCASCAN113.7°120.0°
OAPCAXCASHAX125.4°120.1°
OAPCAXCANHAX125.3°120.0°
OAPCAXCASOAD12.3°175.0°
OAPCAXCASOAH167.2°4.9°
OAPCAXCANSAQ55.3°65.0°
OAPCAXCANHAN164.7°175.0°
OAPCAXCANHAN2172.5°54.9°
CASCAXCANHAX119.8°120.0°
CAXCASOADOAH179.4°179.9°
CASCAXCANSAQ59.6°175.0°
CASCAXCANHAN1179.6°55.1°
CASCAXCANHAN257.6°65.0°
CAXCASOADHAD179.4°179.9°
CANCAXCASOAD125.9°65.1°
CANCAXCASOAH53.5°115.0°
CAXCANSAQHAN1120.0°120.0°
CAXCANSAQHAN2117.1°120.0°
CAXCANSAQCAA114.9°180.0°
CAXCANHAN1HAN2117.4°120.1°
OADCASCAXHAX113.1°54.9°
OAHCASCAXHAX67.4°125.0°
OAHCASOADHAD0.0°0.0°
SAQCANCAXHAX179.4°55.0°
SAQCANHAN1HAN2117.4°120.0°
CANSAQCAAHAA189.1°180.0°
CANSAQCAAHAA2150.9°60.0°
CANSAQCAAHAA330.9°60.0°
CAASAQCANHAN1125.2°60.0°
CAASAQCANHAN22.3°60.0°
SAQCAAHAA1HAA2120.0°120.0°
SAQCAAHAA1HAA3120.0°120.0°
SAQCAAHAA2HAA3120.0°120.0°
HACANHN136.0°180.0°
HACANHN2156.0°56.1°
HACACBHBC1179.2°175.0°
HACACBHBC259.5°65.0°
HBC1CBCAJHAJ1171.3°180.0°
HBC1CBCAJHAJ267.8°60.0°
HBC2CBCAJHAJ150.0°60.0°
HBC2CBCAJHAJ2170.9°180.0°
HAJ1CAJCALHAL1175.7°180.0°
HAJ1CAJCALHAL263.4°59.9°
HAJ2CAJCALHAL154.8°60.0°
HAJ2CAJCALHAL2175.7°180.0°
HAONAOCAWHAW170.1°145.0°
HAWCAWCAKHAK162.5°180.0°
HAWCAWCAKHAK258.4°60.0°
HAK1CAKSAIHAI85.0°60.0°
HAK2CAKSAIHAI36.0°60.0°
HAXCAXCANHAN160.6°65.0°
HAXCAXCANHAN262.3°174.9°
HAA1CAAHAA2HAA3120.0°120.0°

246704

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